BMRB: 15374

Zinc substitued Rubredoxin from Desulfovibrio Vulgaris

Authors

Goodfellow, B.J., Duarte, I.C., Moura, J.J.G., Volkman, B.F., Nunes, S.G., Moura, I., Markley, J.L., Macedo, A.L.

Assembly

rubrdoxin monomer

Entity

1. rubredoxin (polymer, Thiol state: all other bound), 52 monomers, 5574.141 Da Detail

MKKYVCTVCG YEYDPAEGDP DNGVKPGTSF DDLPADWVCP VCGAPKSEFE AA

2. ZN (non-polymer), 65.409 Da

Total weight

5639.5503 Da

Max. entity weight

5574.141 Da

Entity Connection

na 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS6:SG	2:ZN1:ZN
2	na	sing	1:CYS9:SG	2:ZN1:ZN
3	na	sing	1:CYS39:SG	2:ZN1:ZN
4	na	sing	1:CYS42:SG	2:ZN1:ZN

Source organism

Desulfovibrio vulgaris

Exptl. method

solution NMR

Refine. method

Automated methods along with torsion angle dynamics were used for backbone chemical

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.4 %, Completeness (bb): 94.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	94.4 % (318 of 337)	94.8 % (274 of 289)	91.7 % (44 of 48)
Backbone	94.6 % (141 of 149)	95.1 % (98 of 103)	93.5 % (43 of 46)
Sidechain	93.6 % (176 of 188)	94.6 % (176 of 186)	0.0 % (0 of 2)
Aromatic	96.6 % (28 of 29)	100.0 % (28 of 28)	0.0 % (0 of 1)
Methyl	100.0 % (19 of 19)	100.0 % (19 of 19)

1. rubredoxin

MKKYVCTVCG YEYDPAEGDP DNGVKPGTSF DDLPADWVCP VCGAPKSEFE AA

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Temperature 296 (±0.1) K, pH 7.2 (±0.1), Details U-15N labelled Rd(Zn)

#	Name	Isotope labeling	Type	Concentration
1	rubredoxin	[U-15N]		2 mM
2	ZINC ION			2 mM
3	potassium phosphate	natural abundance		50 mM

Sample #2

Temperature 296 (±0.1) K, pH 7.2 (±0.1), Details unlabelled Rd(Zn)

#	Name	Isotope labeling	Type	Concentration
4	rubredoxin	natural abundance		2 mM
5	ZINC ION			2 mM
6	potassium phosphate	natural abundance		50 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 2QL0, Strand ID: A Detail

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Release date

2009-06-28

Citation

An NMR structural study of nickel-substituted rubredoxin
Goodfellow, B.J., Duarte, I.C.N., Macedo, A.L., Volkman, B.F., Nunes, S.G., Moura, I., Markley, J.L., Moura, J.J.G.
J. Biol. Inorg. Chem. (2010), 15, 409-420, PubMed 19997764 , DOI 10.1007/s00775-009-0613-6 , Abstract

Related entities 1. rubredoxin, : 1 : 4 : 1 : 206 entities Detail

Experiments performed 5 experiments Detail